Structure Information
Structure

Compound Identification

SMILES

CCCSC1=NC(NC2CN(CC2O)C(O)=O)=C(N)C(Cl)=N1

InChIKey

InChIKey=MQSLFEQBKQOQPO-UHFFFAOYSA-N

Formula

C12H18ClN5O3S

Mass

347.82

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrrolidines

Subclass

Pyrrolidine carboxylic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Pyrrolidine carboxylic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Aryl thioether - Pyrrolidine carboxylic acid - Aminopyrimidine - Halopyrimidine - Alkylarylthioether - Aryl chloride - Aryl halide - Pyrimidine - Imidolactam - Heteroaromatic compound - Carbamic acid - Carbamic acid derivative - Secondary alcohol - Azacycle - Thioether - Sulfenyl compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Carbonyl group - Amine - Alcohol - Organic oxide - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.

External Descriptors

Not available

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